2-prop-2-enoxy-5-sulfamoylbenzoic acid

C10H11NO5S — CID 43140361

IUPAC2-prop-2-enoxy-5-sulfamoylbenzoic acid
SMILESC=CCOc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C10H11NO5S/c1-2-5-16-9-4-3-7(17(11,14)15)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)(H2,11,14,15)
InChIKeyNVYSWZQQZYSDCB-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.60
Rot. Bonds5

About 2-prop-2-enoxy-5-sulfamoylbenzoic acid

2-prop-2-enoxy-5-sulfamoylbenzoic acid (PubChem CID 43140361) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-prop-2-enoxy-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-prop-2-enoxy-5-sulfamoylbenzoic acid
PubChem CID43140361
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Name2-prop-2-enoxy-5-sulfamoylbenzoic acid
SMILESC=CCOc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C10H11NO5S/c1-2-5-16-9-4-3-7(17(11,14)15)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)(H2,11,14,15)
InChIKeyNVYSWZQQZYSDCB-UHFFFAOYSA-N
XLogP0.60
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-5-sulfamoylbenzoic acid?
The IUPAC name of 2-prop-2-enoxy-5-sulfamoylbenzoic acid (CID 43140361) is 2-prop-2-enoxy-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-prop-2-enoxy-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-prop-2-enoxy-5-sulfamoylbenzoic acid is C=CCOc1ccc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-prop-2-enoxy-5-sulfamoylbenzoic acid?
The InChIKey is NVYSWZQQZYSDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-2-5-16-9-4-3-7(17(11,14)15)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)(H2,11,14,15).
What are the key properties of 2-prop-2-enoxy-5-sulfamoylbenzoic acid?
2-prop-2-enoxy-5-sulfamoylbenzoic acid has a molecular weight of 257.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-5-sulfamoylbenzoic acid is sourced from PubChem (CID 43140361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).